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4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-9-phenylmethoxy-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one
SpectraBase Compound ID EtkJriwDoi1
InChI InChI=1S/C29H29N5O4/c35-26(19-32-14-16-33(17-15-32)29-30-11-5-12-31-29)34-13-4-8-23-24-18-22(37-20-21-6-2-1-3-7-21)9-10-25(24)38-28(36)27(23)34/h1-3,5-7,9-12,18H,4,8,13-17,19-20H2
InChIKey WCQZVNHCEARBPX-UHFFFAOYSA-N
Mol Weight 511.58 g/mol
Molecular Formula C29H29N5O4
Exact Mass 511.221954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5j5IsMhgrE7
Name 4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-9-phenylmethoxy-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29N5O4
InChI InChI=1S/C29H29N5O4/c35-26(19-32-14-16-33(17-15-32)29-30-11-5-12-31-29)34-13-4-8-23-24-18-22(37-20-21-6-2-1-3-7-21)9-10-25(24)38-28(36)27(23)34/h1-3,5-7,9-12,18H,4,8,13-17,19-20H2
InChIKey WCQZVNHCEARBPX-UHFFFAOYSA-N
Molecular Weight 511.582 g/mol
SMILES C12=C(c3cc(OCc4ccccc4)ccc3OC1=O)CCCN2C(CN1CCN(c2ncccn2)CC1)=O
SPLASH splash10-004i-5900000000-a58091779b251440659d
Synonyms 9-Benzoxy-4-[2-[4-(2-pyrimidyl)piperazino]acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one 9-Benzyloxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one 9-Phenylmethoxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one 9-Phenylmethoxy-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoyl]-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
Wiley ID 1512476